C786-2563 Screening compound: N-{2-[cyclohexyl(methyl)amino]ethyl}-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

C786-2563 Screening compound: N-{2-[cyclohexyl(methyl)amino]ethyl}-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide
C786-2563 Screening compound: N-{2-[cyclohexyl(methyl)amino]ethyl}-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-2563
N-{2-[cyclohexyl(methyl)amino]ethyl}-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C786-2563

Molecular Formula

C23H31N5O3 (C23 H31 N5 O3)

Compound Name

N-{2-[cyclohexyl(methyl)amino]ethyl}-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

IUPAC name

N-{2-[cyclohexyl(methyl)amino]ethyl}-2-{9-methoxy-4-methyl-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}acetamide

SMILES

CC(n(c1c2)c3c2c(OC)ccc3)=NN(CC(NCCN(C)C2CCCCC2)=O)C1=O

InChI

InChI=1S/C23H31N5O3/c1-16-25-27(15-22(29)24-12-13-26(2)17-8-5-4-6-9-17)23(30)20-14-18-19(28(16)20)10-7-11-21(18)31-3/h7,10-11,14,17H,4-6,8-9,12-13,15H2,1-3H3,(H,24,29)

InChI Key

VHQOOEDKQIZAGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.392

Distribution Coefficient, logD

0.951

Water Solubility, LogSw

-2.88

Polar Surface Area

64.357

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

C786-2563 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C786-2563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-2563?
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What is the minimum amount of C786-2563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-2563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-2563
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C786-2563 available by request